iterations/neb0_image01_iter14_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161676619658E+04 0.16168E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296178447526E+03 -0.13206E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358072739618E+03 -0.65425E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433520495610E+03 -0.75448E+02 -0.75145E+02 308 0.519E+01
DAV: 5 -0.435230955938E+03 -0.17105E+01 -0.17076E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389146472500E+03 0.46084E+02 -0.15044E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385618602824E+03 0.35279E+01 -0.12415E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384166806521E+03 0.14518E+01 -0.25102E+00 332 0.383E+00 0.432E+00
DAV: 9 -0.383612122497E+03 0.55468E+00 -0.10252E+00 324 0.205E+00 0.110E+00
DAV: 10 -0.383533794261E+03 0.78328E-01 -0.13720E-01 340 0.957E-01 0.758E-01
DAV: 11 -0.383508573479E+03 0.25221E-01 -0.36491E-02 332 0.491E-01 0.536E-01
DAV: 12 -0.383502470195E+03 0.61033E-02 -0.13275E-01 348 0.442E-01 0.932E-01
DAV: 13 -0.383486381763E+03 0.16088E-01 -0.25665E-01 332 0.450E-01 0.457E-01
DAV: 14 -0.383488305914E+03 -0.19242E-02 -0.94312E-03 316 0.277E-01 0.423E-01
DAV: 15 -0.383491434668E+03 -0.31288E-02 -0.12662E-02 324 0.275E-01 0.293E-01
DAV: 16 -0.383498732295E+03 -0.72976E-02 -0.17349E-02 340 0.194E-01 0.248E-01
DAV: 17 -0.383505416281E+03 -0.66840E-02 -0.49265E-03 308 0.129E-01 0.230E-01
DAV: 18 -0.383513953351E+03 -0.85371E-02 -0.36324E-03 324 0.142E-01 0.814E-02
DAV: 19 -0.383520641680E+03 -0.66883E-02 -0.17010E-03 316 0.116E-01 0.146E-01
DAV: 20 -0.383524701365E+03 -0.40597E-02 -0.96380E-04 292 0.750E-02 0.804E-02
DAV: 21 -0.383530210116E+03 -0.55088E-02 -0.39082E-04 324 0.578E-02 0.729E-02
DAV: 22 -0.383536239792E+03 -0.60297E-02 -0.55708E-04 348 0.524E-02 0.394E-02
DAV: 23 -0.383539302528E+03 -0.30627E-02 -0.20087E-04 308 0.339E-02 0.302E-02
DAV: 24 -0.383541563075E+03 -0.22605E-02 -0.12323E-04 308 0.223E-02 0.139E-02
DAV: 25 -0.383543066067E+03 -0.15030E-02 -0.63650E-05 300 0.161E-02 0.140E-02
DAV: 26 -0.383543697142E+03 -0.63108E-03 -0.37939E-05 252 0.126E-02 0.725E-03
DAV: 27 -0.383544076566E+03 -0.37942E-03 -0.15185E-05 236 0.927E-03 0.390E-03
DAV: 28 -0.383544307698E+03 -0.23113E-03 -0.94526E-06 220 0.591E-03 0.479E-03
DAV: 29 -0.383544414728E+03 -0.10703E-03 -0.38416E-06 228 0.447E-03 0.205E-03
DAV: 30 -0.383544479274E+03 -0.64546E-04 -0.27729E-06 220 0.335E-03 0.203E-03
DAV: 31 -0.383544511806E+03 -0.32532E-04 -0.12897E-06 228 0.233E-03 0.102E-03
DAV: 32 -0.383544541230E+03 -0.29425E-04 -0.12092E-06 204 0.211E-03 0.805E-04
DAV: 33 -0.383544552082E+03 -0.10852E-04 -0.48144E-07 228 0.137E-03 0.104E-03
DAV: 34 -0.383544560970E+03 -0.88885E-05 -0.33186E-07 212 0.145E-03
1 F= -.38354456E+03 E0= -.38356178E+03 d E =0.516624E-01